4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-methyl-2-imidazolyl)-phenylmethyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-[(1-methylimidazol-2-yl)-phenyl-methyl]butyramide Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H25N3O4/c1-27-13-12-25-24(27)23(17-6-3-2-4-7-17)26-22(29)11-9-19(28)18-8-10-20-21(16-18)31-15-5-14-30-20/h2-4,6-8,10,12-13,16,23H,5,9,11,14-15H2,1H3,(H,26,29)